4OO2

Streptomyces globisporus C-1027 FAD dependent (S)-3-chloro-β-tyrosine-S-SgcC2 C-5 hydroxylase SgcC apo form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-21
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.911650
Spacegroup name	P 21 21 21
Unit cell lengths	99.156, 173.729, 113.859
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.675 - 2.630
R-factor	0.2175
Rwork	0.217
R-free	0.24610
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond angle	18.859
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.680	47.675
High resolution limit [Å]	2.630	7.350
Rmerge	0.274	0.025
Number of reflections	108116	8605	4810
<I/σ(I)>	3.8	13.91
Completeness [%]	95.4	93
Redundancy	2.75

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293.15	1:1 v/v mixture of SgcC (15mg/mL) with reservoir solution (Molecular Dimensions Morpheus screen A1 condition: 60mM mixture of MgCl2 and CaCl2; 100mM Imidazole and MES buffer pH 6.5; 30% mixture of PEG550mme and PEG 20k), cryoprotected by Mitegen LV cryo-oil, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K